SCHEMBL3676845

SCHEMBL3676845

C=CC(=O)Oc1c(OC)ccc(Br)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
ERN1 O75460 1/20 0.37
THRA P10827 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RXFP1 Q9HBX9 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGS1 P23219 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28525364 0.78 ERN1 (0.50) THRBERN1ALDH1A1KDM4EPTGS1
SCHEMBL29136858 0.78 ERN1 (0.40) THRBERN1THRAALDH1A1RXFP1
SCHEMBL27519352 0.77 MAPT (0.48) THRBTHRAALDH1A1L3MBTL1KDM4E
SCHEMBL15239366 0.77 MEN1 (0.43) THRBTHRAKDM4EHPGDLMNA
SCHEMBL29135178 0.75 PTPN1 (0.42) THRBERN1THRAALDH1A1RXFP1
SCHEMBL28530588 0.75 APP (0.45) THRBTHRAALDH1A1KDM4EHPGD
SCHEMBL24810564 0.74 NFE2L2 (0.47) THRBERN1THRAALDH1A1KDM4E
SCHEMBL28295437 0.74 ABCG2 (0.45) THRBTHRAALDH1A1KDM4EPTGS1
SCHEMBL30406222 0.73 ALDH1A1 (0.53) THRBALDH1A1KDM4EPTGS1HPGD
SCHEMBL31339995 0.72 THRB (0.39) THRBTHRAKDM4EHPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120321533-A1 CATALYST ALMQVIST FREDRIK (SE) 2012-12-20 US disclosed
EP-2152410-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS Nordic chemquest Aktiebolag (SE) 2010-02-17 EP disclosed
EP-1994983-A1 Catalyst containing covalently bonded formate groups and Pd(0) and process for its obtention Almquest AB (SE) 2008-11-26 EP disclosed
WO-2008138938-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS NORDIC CHEMQUEST AB (SE) 2008-11-20 WO disclosed